SCHEMBL13612916

SCHEMBL13612916

Nc1ccccc1-c1cnc(Nc2cccc(O)c2)o1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.50
KDR P35968 6/20 0.48
FLT1 P17948 5/20 0.48
FLT4 P35916 5/20 0.48
SIRT7 Q9NRC8 1/20 0.48
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
IMPDH2 P12268 2/20 0.42
SYK P43405 1/20 0.41
EGFR P00533 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4188112 0.81 KDR (0.56) VCPKDRFLT1FLT4SIRT7
SCHEMBL21311878 0.80 VCP (0.64) VCPKDRFLT1FLT4SIRT7
SCHEMBL21311902 0.79 VCP (0.68) VCPKDRFLT1FLT4SIRT7
SCHEMBL4174334 0.77 TUBB4A (0.62) VCPKDRFLT1FLT4IMPDH2
SCHEMBL5184578 0.76 KDR (0.72) VCPKDRFLT1FLT4IMPDH2
SCHEMBL14134239 0.75 KDR (0.66) VCPKDRFLT1FLT4SIRT7
SCHEMBL14058111 0.73 KDR (0.45) VCPKDRFLT1FLT4SIRT7
SCHEMBL14057525 0.72 TRPV1 (0.66) VCPKDRFLT1FLT4SIRT7
SCHEMBL14058473 0.72 KDR (0.67) VCPKDRFLT1FLT4SIRT7
SCHEMBL13605799 0.72 VCP (0.60) VCPKDRFLT1FLT4IMPDH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL VCP 1689/4885KDR 3284/4885FLT1 3408/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.